2,2,2-tris(fluoranyl)ethyl 3-[(4-methylpyridin-2-yl)carbamoyl]benzenesulfonate

Systemtic Name: 2,2,2-tris(fluoranyl)ethyl 3-[(4-methylpyridin-2-yl)carbamoyl]benzenesulfonate Openeye Name: 2,2,2-trifluoroethyl 3-[(4-methyl-2-pyridyl)carbamoyl]benzenesulfonate CAS Name: 3-[[(4-methyl-2-pyridinyl)amino]-oxomethyl]benzenesulfonic acid 2,2,2-trifluoroethyl ester IUPAC Name: 2,2,2-trifluoroethyl 3-[(4-methylpyridin-2-yl)carbamoyl]benzenesulfonate Traditional Name: 3-[(4-methyl-2-pyridyl)carbamoyl]benzenesulfonic acid 2,2,2-trifluoroethyl ester Formula: C15H13F3N2O4S MolecularWeight: 374.33493

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)OCC(F)(F)F

Isomeric SMILES

CC1=CC(=NC=C1)NC(=O)C2=CC(=CC=C2)S(=O)(=O)OCC(F)(F)F

InChI

InChI=1S/C15H13F3N2O4S/c1-10-5-6-19-13(7-10)20-14(21)11-3-2-4-12(8-11)25(22,23)24-9-15(16,17)18/h2-8H,9H2,1H3,(H,19,20,21)